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24667-09-2 | 3-Pyridinecarboxylic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-
CAS No: 24667-09-2 Catalog No: AG002OZT MDL No:MFCD03701728
Product Description
Catalog Number:
AG002OZT
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-
CAS Number:
24667-09-2
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD03701728
IUPAC Name:
4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-4-3-5(2)9-7(10)6(4)8(11)12/h3H,1-2H3,(H,9,10)(H,11,12)
InChI Key:
IBXQMVFDHWEASI-UHFFFAOYSA-N
SMILES:
Cc1cc(C)[nH]c(=O)c1C(=O)O
NSC Number:
61972
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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